HRID1569255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID780757

2-Oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid

C8H6N2O3

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID12501433

未命名化合物

结构：O=C(c1ccc2[nH]cnc2c1)N1CCCC2c3ccccc3CCC21

HCID178519346

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCCC2c3ccccc3CC21

HCID67224617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6a91a95999442f792bd9263b87aabac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[NH:14]1[CH:15]2[CH:16]([CH2:17][CH2:18][CH2:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1[CH2:26]2.[O:1]=[c:2]1[nH:3][c:4]2[c:5]([nH:6]1)[cH:7][cH:8][c:9]([C:11](=[O:12])[OH:13])[cH:10]2.[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1.[nH:51]1[c:52]2[cH:53][cH:54][c:55]([C:56]([N:57]3[CH:58]4[CH:59]([c:60]5[cH:61][cH:62][cH:63][cH:64][c:65]5[CH2:66][CH2:67]4)[CH2:68][CH2:69][CH2:70]3)=[O:71])[cH:72][c:73]2[n:74][cH:75]1>>[O:1]=[c:2]1[nH:3][c:4]2[c:5]([nH:6]1)[cH:7][cH:8][c:9]([C:11](=[O:13])[N:14]1[CH:15]3[CH:16]([CH2:17][CH2:18][CH2:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1[CH2:26]3)[cH:10]2